SCHEMBL1637219

SCHEMBL1637219

CCCN(CCC)Cc1ccc(C(=O)Nc2cc(C#N)ccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.50
▸ HDAC3 O15379 4/20 0.50
▸ HDAC2 Q92769 4/20 0.50
▸ RORC P51449 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15480528 0.74 HDAC1 (0.72) HDAC1CA12CA1CA9
SCHEMBL1638440 0.73 HDAC1 (0.52) HDAC1HDAC3HDAC2ALDH1A1LMNA
SCHEMBL7409760 0.72 HDAC1 (0.67) HDAC1HDAC3HDAC2KMT2AMEN1
SCHEMBL1067964 0.72 HDAC1 (0.72) HDAC1HDAC3HDAC2NCOR2
SCHEMBL3781002 0.72 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6484244 0.72 NPC1 (0.50) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL28738632 0.72 HDAC2 (0.58) HDAC1HDAC3HDAC2KMT2AMEN1
SCHEMBL19088665 0.72 HRH3 (0.64) RORC
SCHEMBL1206261 0.71 HDAC6 (0.59) HDAC1HDAC3HDAC2RORCKMT2A
SCHEMBL11624802 0.71 SLC6A2 (0.42) RORCKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 — — EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 — — US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 — — US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 — — US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 HDAC1 582/4885HDAC3 801/4885HDAC2 525/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 HDAC1 366/4885HDAC3 748/4885HDAC2 336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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